SCHEMBL13696670

SCHEMBL13696670

c1cc(N2CCCCCC2)nc(N[C@H]2CCN(C3CCCCC3)C2CCN2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.47
▸ CXCR4 P61073 2/20 0.46
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ OGA O60502 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2010406 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL2014636 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL2010314 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL4105627 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL4103950 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL4108575 0.94 HRH4 (0.45) HRH4CXCR4DRD2DRD3OGA
SCHEMBL229092 0.89 CXCR4 (0.53) HRH4CXCR4MAPK8HRH3
SCHEMBL229091 0.89 CXCR4 (0.53) HRH4CXCR4MAPK8HRH3
SCHEMBL4110612 0.89 HRH4 (0.52) HRH4CXCR4DRD2DRD3OGA
SCHEMBL4116679 0.89 CXCR4 (0.42) HRH4CXCR4DRD2DRD3OGA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF CXCR4, CXCR1, CXCL12 HRH4 152/4885CXCR4 1/4885DRD2 2501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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